SCHEMBL10000137

SCHEMBL10000137

C/C=C(\C)CC/C=C(\C)COC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 2/20 0.52
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
FNTA P49354 4/20 0.38
FNTB P49356 4/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
PGGT1B P53609 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
UGT1A1 P22309 1/20 0.36
SQLE Q14534 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9421323 0.86 ALDH1A1 (0.55) ALDH1A1ALOX15KMT2AKDM4EATM
SCHEMBL10984320 0.86 ALDH1A1 (0.55) ALDH1A1ALOX15KMT2AKDM4EATM
SCHEMBL9421324 0.86 ALDH1A1 (0.55) ALDH1A1ALOX15KMT2AKDM4EATM
SCHEMBL31509361 0.85 ALDH1A1 (0.73) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL10324550 0.85 ALOX15 (0.57) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL10325002 0.85 ALOX15 (0.57) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL10324551 0.85 ALOX15 (0.57) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL4624226 0.82 TSHR (0.43) ALDH1A1ALOX15KMT2AKDM4EATM
SCHEMBL4624227 0.82 TSHR (0.43) ALDH1A1ALOX15KMT2AKDM4EATM
SCHEMBL30084561 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15KMT2AKDM4EATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657313-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-23 US disclosed
US-9657313-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-23 US disclosed
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-04 US disclosed
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-04 US disclosed
US-9371342-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-21 US disclosed
US-9371342-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-21 US disclosed
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE YAMAGATA UNIVERSITY (JP) 2014-06-19 US disclosed
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE YAMAGATA UNIVERSITY (JP) 2014-06-19 US disclosed
EP-2594597-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2013-05-22 EP disclosed
WO-2012008298-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE 住友ゴム工業株式会社 (JP) 2012-01-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 ALDH1A1 3351/4885ALOX15 312/4885KMT2A 4466/4885
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 ALDH1A1 3351/4885ALOX15 312/4885KMT2A 4466/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.